6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide

C18H15BrN4O — CID 109126993

IUPAC6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(Nc3cccc(Br)c3)nn2)c1
InChIInChI=1S/C18H15BrN4O/c1-12-4-2-6-14(10-12)21-18(24)16-8-9-17(23-22-16)20-15-7-3-5-13(19)11-15/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyHEJIUPBPKJZSEY-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.54
Rot. Bonds4

About 6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide

6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide (PubChem CID 109126993) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
PubChem CID109126993
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(Nc3cccc(Br)c3)nn2)c1
InChIInChI=1S/C18H15BrN4O/c1-12-4-2-6-14(10-12)21-18(24)16-8-9-17(23-22-16)20-15-7-3-5-13(19)11-15/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyHEJIUPBPKJZSEY-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126897
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
6-(4-methylanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126943
N-(3-methoxyphenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126899
N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126791
6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide
CID 109124920
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109124848
6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111313
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide (CID 109126993) is 6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(Nc3cccc(Br)c3)nn2)c1.
What is the InChIKey of 6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is HEJIUPBPKJZSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-4-2-6-14(10-12)21-18(24)16-8-9-17(23-22-16)20-15-7-3-5-13(19)11-15/h2-11H,1H3,(H,20,23)(H,21,24).
What are the key properties of 6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide?
6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109126993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).